SCHEMBL6571967

SCHEMBL6571967

CS(=O)(=O)NCCc1ccc2cc(OCCN)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.45
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA5A P35218 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
ALDH1A1 P00352 3/20 0.42
DYRK3 O43781 1/20 0.41
ROCK2 O75116 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
CDK1 P06493 1/20 0.41
ROS1 P08922 1/20 0.41
PIM1 P11309 1/20 0.41
PRKACA P17612 1/20 0.41
RPS6KB1 P23443 1/20 0.41
CDK2 P24941 1/20 0.41
AKT1 P31749 1/20 0.41
CLK2 P49760 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6763704 0.91 ALDH1A1 (0.51) PTGS2CA12CA1CA2CA5A
SCHEMBL6763717 0.88 ALDH1A1 (0.44) PTGS2CA12CA1CA2CA5A
SCHEMBL6574096 0.86 GRIA4 (0.47) PTGS2CA12CA1CA2CA5A
SCHEMBL6574100 0.86 HSD17B10 (0.44) PTGS2CA12CA1CA2CA5A
SCHEMBL6761044 0.85 ALDH1A1 (0.49) PTGS2ALDH1A1DYRK3ROCK2PRKD3
SCHEMBL6763747 0.83 ALDH1A1 (0.47) PTGS2ALDH1A1DYRK3ROCK2PRKD3
SCHEMBL6763745 0.83 GRIA4 (0.48) PTGS2CA12CA1CA2CA5A
SCHEMBL6759300 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2MTNR1A
SCHEMBL6571852 0.82 PTGS2 (0.66) PTGS2CA12CA1CA2CA5A
SCHEMBL6762788 0.82 CA1 (0.45) PTGS2CA12CA1CA2CA5A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040147612-A1 Sulfonamide derivatives DAVISON JOSHUA ZWICK (US) 2004-07-29 US disclosed
EP-1409452-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2004-04-21 EP disclosed
WO-2002098846-A1 SULFONAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 2002-12-12 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040147612-A1 Sulfonamide derivatives GRIN1, GRIN2A, GRIA1 PTGS2 959/4885CA12 1432/4885CA1 623/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.